SCHEMBL20189844

SCHEMBL20189844

O=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.52
GSK3A P49840 8/20 0.52
MAPT P10636 1/20 0.43
ATR Q13535 1/20 0.40
PYGL P06737 1/20 0.39
MRGPRX1 Q96LB2 3/20 0.38
LCLAT1 Q6UWP7 1/20 0.37
UGCG Q16739 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CNR2 P34972 3/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20189799 0.84 GSK3B (0.71) GSK3BGSK3AMAPTATR
SCHEMBL20204955 0.84 GSK3A (0.67) GSK3BGSK3AMAPT
SCHEMBL20204944 0.84 GSK3B (0.55) GSK3BGSK3AMAPTMRGPRX1UGCG
SCHEMBL20205049 0.82 GSK3A (0.78) GSK3BGSK3AMAPT
SCHEMBL20204940 0.81 GSK3B (0.52) GSK3BGSK3AMAPTCNR2
SCHEMBL28911755 0.80 GAA (0.39) GSK3BGSK3AMAPTIRAK4
SCHEMBL20190656 0.77 GSK3B (0.70) GSK3BGSK3AMAPTATRCNR2
SCHEMBL16702562 0.76 GSK3B (0.55) GSK3BGSK3AMAPTATR
SCHEMBL20205196 0.73 GSK3B (0.79) GSK3BGSK3AMAPT
SCHEMBL16702699 0.72 GSK3B (0.63) GSK3BGSK3AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
CN-110545817-A GSK-3 inhibitors SQUIBB BRISTOL MYERS COMPANY 2019-12-06 CN disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
EP-3544613-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885MAPT 90/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885MAPT 90/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.